Methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-64-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58-heptacosaene-52-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-64-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58-heptacosaene-52-carboxylate
• 英文别名: methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-64-[3-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58-heptacosaene-52-carboxylate
• 化学式: C₉₅H₁₁₀N₈O₄₄
• 分子量: 2067.9
• InChiKey: VTVYZCLFQHBCNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  147
• 可旋转键数：
  18
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  816
• 氢给体数：
  29
• 氢受体数：
  46